mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
-8.99
7.96
type
stringclasses
2 values
formula
stringlengths
2
26
n_atoms
int64
1
444
spacegroup
int64
1
230
volume
float64
5.61
20.1k
mp-975531
-6.436263
-2.806304
-1.751161
other
Rb1Cr5Te8
14
12
390.31
mp-685138
-4.606314
-3.484298
-0.197211
other
U4As2Se2
8
12
193.06
mp-697962
3.431042
-0.680726
-2.476738
other
Eu6Mg7H26
39
12
439.81
mp-756286
9.849608
8.565667
3.069667
other
La3Ce4O12
19
12
304.76
mp-1025347
-4.850216
-1.446511
-3.122925
other
Ti2Co1Se4
7
12
129.25
mp-764457
5.51297
10.41463
-1.952941
other
Na12Fe4O16
32
12
348.44
mp-1182448
6.094258
11.739739
-1.002775
other
Ba4Fe9O20
33
12
450.4
mp-1222857
-7.524199
-10.206963
6.283996
other
La1Mg11Al1
13
12
308.28
mp-777674
10.099116
0.596758
0.404655
other
Li4Fe4F16
24
12
323.13
mp-37255
8.768196
11.484808
0.359943
other
Na4Ru2O6
12
12
132.63
mp-1246594
0.509515
2.702412
1.735046
other
Mn2Ni9N8
19
12
176.22
mp-1237970
-4.838412
-2.954992
-3.876622
other
Mg2In2Se6
10
12
288.03
mp-1232192
-4.537866
-3.926532
-3.921833
other
Dy4Mg4Se12
20
12
587.67
mp-1223222
-0.956213
0.752103
-1.59654
other
La4C2I5
11
12
367.98
mp-1084850
6.687793
5.849528
-3.81753
other
Ni1Cl2O6
9
12
135.52
mp-1180080
6.714509
5.793396
-3.848122
other
Ni1Cl2O6
9
12
154.19
mp-1104112
12.4168
11.941896
1.85843
other
Li2Ti4O8
14
12
152.32
mp-17759
7.811384
10.058735
-3.731723
other
Cr4Cd4O16
24
12
352.81
mp-1025023
-0.647422
0.77645
-2.38712
other
Tb2C2Br2
6
12
135.85
mp-4022
-5.468406
-2.854923
4.747145
other
Zr4Co2Si4
10
12
159.81
mp-1193337
-4.69405
-2.953176
-3.791406
other
Cs10Ga6Se14
30
12
1,108.33
mp-976257
-4.834826
-1.612746
-3.076351
other
K1Ti5Se8
14
12
307.6
mp-2874
12.589278
6.626256
-0.905703
other
In2Si2O7
11
12
132.21
mp-780623
14.198379
12.763762
-1.310758
other
V8O12F4
24
12
246.7
mp-704810
7.807666
9.983973
-3.823642
other
K4Cr4O14
22
12
437.66
mp-2647164
8.469448
3.887675
-6.938125
other
Mg12C12O36
60
12
546.66
mp-1245863
0.146052
2.631479
1.95634
other
Mg1Fe10N8
19
12
192.63
mp-31069
10.638173
7.624465
-2.080366
other
P4Pb16O26
46
12
831.31
mp-2214642
8.715481
14.071849
-1.576216
other
Mn3Sb1O8
12
12
158.97
mp-1045474
-5.138959
-0.733109
-5.158434
other
Mg2Mn4S8
14
12
246.8
mp-1080184
8.333399
6.633784
-2.774386
other
La2I2O6
10
12
196.11
mp-561672
8.500946
9.1838
-0.258618
other
Cs4Ir1O4
9
12
224.02
mp-1227449
-5.428318
-1.032156
4.661376
other
Be5Al4Fe2
11
12
125
mp-29741
-5.681547
-6.120431
0.771859
other
Tl4Cd6Sb6
16
12
478.74
mp-608594
12.239521
11.568973
-1.372285
other
Cr2W2O8
12
12
132.71
mp-14474
-4.567274
-1.093964
-3.241662
other
Ta4Pt2Se14
20
12
502.6
mp-1215038
8.290307
1.212818
0.453983
other
Ba3Ti1F12
16
12
418.13
mp-1398363
12.914643
10.589074
0.053014
other
Zn2W3O8
13
12
160.72
mp-1225679
-8.286176
-4.609538
5.386385
other
Er2Ga2Ni2
6
12
106.25
mp-1045074
6.772678
13.417011
-1.947922
other
Al4Co12O24
40
12
414.35
mp-557297
10.959786
10.79976
-3.537019
other
Tl3Mo10O30
43
12
672.5
mp-1223942
-9.025927
-6.103532
3.575859
other
Ho2Ga2Au2
6
12
121.51
mp-1245443
1.671494
1.787202
1.283409
other
Ca7Zn2N6
15
12
247.84
mp-766308
-1.240584
1.935727
-1.709702
other
Ba4Ca4I16
24
12
1,370.64
mp-753802
10.605126
10.598757
3.126145
other
Sc2Ti2O7
11
12
144.95
mp-1101384
10.762783
9.283646
-0.568438
other
Sb10O14F2
26
12
509.3
mp-1370001
7.754665
13.293816
-1.296233
other
Ca2Co9O13
24
12
250.67
mp-1100486
7.147183
19.649796
-0.122213
other
Li9Mn7O16
32
12
297.59
mp-1101885
-2.391893
-0.59192
-5.476224
other
Na4P2S6
12
12
270.33
mp-15886
-3.019422
-2.298388
-4.808939
other
Na4U2S6
12
12
276.66
mp-1224415
-5.744568
-3.451181
-2.074852
other
Ge3Sb2Te6
11
12
337.06
mp-1205905
-7.667462
-3.240124
5.462797
other
Dy4Ge4Ru2
10
12
204.66
mp-753132
11.27396
12.379652
0.094393
other
Ca1Mn7O8
16
12
187.65
mp-1208866
-3.506467
-3.452915
0.879532
other
Si2P4Ir1
7
12
117.56
mp-568349
-5.729413
-1.653775
-3.235644
other
Cr1Fe2Se4
7
12
124.69
mp-1208717
13.222872
7.719015
-1.198654
other
Ti1B6O6
13
12
171.39
mp-31107
10.384336
7.998769
-1.860455
other
As4Pb16O26
46
12
831.11
mp-764889
8.319014
13.789976
-0.694437
other
Li9Fe5O12
26
12
243.21
mp-1228055
-5.79375
-6.84259
3.417801
other
Ba2In2Ga2
6
12
181.23
mp-25248
7.593602
11.875546
-0.64664
other
Li8Cu6O12
26
12
275.35
mp-764764
6.886322
19.817789
-0.211125
other
Li14Mn10O24
48
12
438.12
mp-1045897
7.265478
12.514383
-1.150271
other
Mg2Ni9O13
24
12
228.43
mp-540784
10.656863
12.261683
2.289344
other
Rb2Ti6O13
21
12
274.17
mp-752603
10.482132
13.460459
-2.205094
other
Li3V2O6
11
12
105.47
mp-1214989
8.249583
1.349553
-0.292643
other
Ba3Pt1F12
16
12
378.49
mp-1246909
-2.486471
-3.210032
-5.354568
original
Y4S3N2
9
12
191.17
mp-27311
9.851046
9.07594
2.92423
other
La2C2O2
6
12
104.33
mp-1101294
11.586334
8.585774
2.058307
other
Zr2U8O20
30
12
389.58
mp-1246913
1.345773
2.511774
1.666849
other
Mn1Pb2N2
5
12
87.95
mp-1248380
8.375731
8.311235
-2.560856
other
Al10Cu6O24
40
12
410.5
mp-28742
-1.595484
0.14323
1.374164
other
Ca4Ni3C5
12
12
186.8
mp-4647
-5.362795
-2.987054
-4.303506
original
K3Cu8Se6
17
12
350.81
mp-768727
12.986346
11.70685
1.487271
other
Ti4V1O8
13
12
144.31
mp-1226549
-2.205222
0.472725
2.386252
other
Ce1Y1C4
6
12
87.27
mp-19335
7.833812
10.362313
-3.768518
other
K2Cr6O16
24
12
353.23
mp-1180580
9.631927
1.610178
-1.163816
other
Li1H1F2
4
12
32.86
mp-1217423
-6.127225
-1.986666
4.357422
other
Ti8Cr4Ge10
22
12
338.79
mp-1205465
-6.801487
-4.950857
4.650057
other
Ce4Mg7Ge6
17
12
407.06
mp-761032
1.472033
1.77266
3.011826
other
Hf5N5O2
12
12
140.41
mp-1193402
-6.127436
-5.885142
3.817847
other
Eu6Ga8Ge12
26
12
577.76
mp-1273834
6.422721
14.018466
-1.983213
other
Li2Co4O8
14
12
139.25
mp-1102988
7.273925
5.850496
-4.752087
other
Cd2S2O8
12
12
245.19
mp-2218876
12.751749
13.358449
-1.114935
other
Mg1V4O8
13
12
151.86
mp-1217179
-5.755673
-2.351979
-1.430822
other
Ti4Cr1Te8
13
12
335.58
mp-997094
8.347445
9.850844
0.518132
other
Sr2Au2O4
8
12
131.15
mp-541622
-6.119479
-2.934811
-2.255193
other
K2Cu6Te4
12
12
281.89
mp-1042253
10.613205
9.472033
0.313892
other
Mg2Sn4O8
14
12
204.24
mp-561973
9.683006
9.54769
-1.800003
other
K4Te8O24
36
12
521.85
mp-763950
13.235893
13.199921
-1.818441
other
V6O10F2
18
12
193.81
mp-1194667
-5.256486
-5.920299
0.726691
other
Ca42Zn8Sb36
86
12
2,479.51
mp-10308
-7.672398
-3.603053
5.063073
other
Ho4Ge4Rh2
10
12
202.27
mp-1388405
8.170633
13.373857
-0.982384
other
Mg2Fe4O8
14
12
167.33
mp-1209366
10.470989
10.539321
1.529322
other
Pr3Re2O10
15
12
196.55
mp-1101049
-3.966311
-0.21597
-4.387769
other
Ti5Tl1S8
14
12
264.77
mp-1181918
-1.118507
3.007258
-3.057745
other
Cs6Li4I10
20
12
887.96
mp-1021518
-5.475602
-0.091757
-5.702959
other
Cs1Cr5S8
14
12
280.31
mp-1207905
-7.627662
-3.29817
5.345547
other
Y4Ge4Ru2
10
12
206.58
mp-1232140
-4.53249
-3.981448
-3.932691
other
Ho2Mg2Se6
10
12
287.64
mp-1218893
-3.995805
-5.238457
5.582842
other
Sr1Ca2Si6
9
12
201.58
mp-31031
9.424872
8.927081
2.543147
other
La4Pd1O7
12
12
188.91